General Information of the Compound
| Compound ID |
CP0875549
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| Compound Name |
1-(4-Hydroxy-4,4-diphenyl-butyl)-1-methyl-piperidinium iodide
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| Structure |
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| Formula |
C22H30INO
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| Molecular Weight |
451.392
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| Canonical SMILES |
C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCCCC1.[I-]
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| InChI |
InChI=1S/C22H30NO.HI/c1-23(17-9-4-10-18-23)19-11-16-22(24,20-12-5-2-6-13-20)21-14-7-3-8-15-21;/h2-3,5-8,12-15,24H,4,9-11,16-19H2,1H3;1H/q+1;/p-1
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| InChIKey |
HIEWUKRQZWTODT-UHFFFAOYSA-M
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01310, Muscarinic acetylcholine receptor M1
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Protein ID: PT01156, Muscarinic acetylcholine receptor M4
Protein ID: PT01516, Muscarinic acetylcholine receptor M5